data_16621 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N chemical shift assignment of KCNE3 in isotropic bicelles ; _BMRB_accession_number 16621 _BMRB_flat_file_name bmr16621.str _Entry_type original _Submission_date 2009-12-02 _Accession_date 2009-12-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Congbao . . 2 Vanoye Carlos G. . 3 Welch Richard C. . 4 Sanders Charles R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 95 "13C chemical shifts" 284 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-02-11 original author . stop_ _Original_release_date 2010-02-11 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Functional delivery of a membrane protein into oocyte membranes using bicelles.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20044833 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kang Congbao . . 2 Vanoye Carlos G. . 3 Welch Richard C. . 4 'Van Horn' Wade D. . 5 Sanders Charles R. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 653 _Page_last 655 _Year 2010 _Details . loop_ _Keyword KCNE3 'membrane protein' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KCNE3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label KCNE3 $KCNE3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KCNE3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KCNE3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'regulator of voltage-gated potassium channel KCNQ1' stop_ _Details 'human membrane protein KCNE3, MinK related protein 2' ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; MGHHHHHHGMETTNGTETWY ESLHAVLKALNATLHSNLLC RPGPGLGPDNQTERRASLPG RDDNSYMYILFVMFLFAVTV GSLILGYTRSRKVDKRSDPY HVYIKNRVSMI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 MET 2 -7 GLY 3 -6 HIS 4 -5 HIS 5 -4 HIS 6 -3 HIS 7 -2 HIS 8 -1 HIS 9 0 GLY 10 1 MET 11 2 GLU 12 3 THR 13 4 THR 14 5 ASN 15 6 GLY 16 7 THR 17 8 GLU 18 9 THR 19 10 TRP 20 11 TYR 21 12 GLU 22 13 SER 23 14 LEU 24 15 HIS 25 16 ALA 26 17 VAL 27 18 LEU 28 19 LYS 29 20 ALA 30 21 LEU 31 22 ASN 32 23 ALA 33 24 THR 34 25 LEU 35 26 HIS 36 27 SER 37 28 ASN 38 29 LEU 39 30 LEU 40 31 CYS 41 32 ARG 42 33 PRO 43 34 GLY 44 35 PRO 45 36 GLY 46 37 LEU 47 38 GLY 48 39 PRO 49 40 ASP 50 41 ASN 51 42 GLN 52 43 THR 53 44 GLU 54 45 ARG 55 46 ARG 56 47 ALA 57 48 SER 58 49 LEU 59 50 PRO 60 51 GLY 61 52 ARG 62 53 ASP 63 54 ASP 64 55 ASN 65 56 SER 66 57 TYR 67 58 MET 68 59 TYR 69 60 ILE 70 61 LEU 71 62 PHE 72 63 VAL 73 64 MET 74 65 PHE 75 66 LEU 76 67 PHE 77 68 ALA 78 69 VAL 79 70 THR 80 71 VAL 81 72 GLY 82 73 SER 83 74 LEU 84 75 ILE 85 76 LEU 86 77 GLY 87 78 TYR 88 79 THR 89 80 ARG 90 81 SER 91 82 ARG 92 83 LYS 93 84 VAL 94 85 ASP 95 86 LYS 96 87 ARG 97 88 SER 98 89 ASP 99 90 PRO 100 91 TYR 101 92 HIS 102 93 VAL 103 94 TYR 104 95 ILE 105 96 LYS 106 97 ASN 107 98 ARG 108 99 VAL 109 100 SER 110 101 MET 111 102 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16602 KCNE3 100.90 112 99.11 99.11 2.28e-74 DBJ BAG34817 "unnamed protein product [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 EMBL CAG33490 "KCNE3 [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 EMBL CAI56768 "hypothetical protein [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 GB AAD28089 "minK-related peptide 2 [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 GB AAG16255 "voltage-gated K+ channel subunit MIRP2 [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 GB AAI10613 "Potassium voltage-gated channel, Isk-related family, member 3 [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 GB AAI13744 "KCNE3 protein [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 GB ABB00304 "cardiac voltage-gated potassium channel accessory subunit isoform 3a [Homo sapiens]" 89.19 99 98.99 98.99 4.30e-64 REF NP_005463 "potassium voltage-gated channel subfamily E member 3 [Homo sapiens]" 92.79 103 99.03 99.03 4.78e-67 REF XP_001115704 "PREDICTED: potassium voltage-gated channel subfamily E member 3-like [Macaca mulatta]" 93.69 144 97.12 97.12 4.19e-66 REF XP_001174917 "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pan troglodytes]" 92.79 103 99.03 99.03 4.78e-67 REF XP_002822287 "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pongo abelii]" 92.79 103 99.03 99.03 4.78e-67 REF XP_003777893 "PREDICTED: potassium voltage-gated channel subfamily E member 3 [Pongo abelii]" 92.79 103 99.03 99.03 4.78e-67 SP Q9Y6H6 "RecName: Full=Potassium voltage-gated channel subfamily E member 3; AltName: Full=MinK-related peptide 2; AltName: Full=Minimum" 92.79 103 99.03 99.03 4.78e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $KCNE3 human 9606 Eukaryota Metazoa Homo sapiens KCNE3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $KCNE3 'recombinant technology' . Escherichia coli 'BL21(DE3) condon plus RP' pET16b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_KCNE3_in_bicelles _Saveframe_category sample _Sample_type bicelle _Details 'KCNE3 in bicelles solution containing 250 mM imidazole, 20% DHPC:DMPG (3:1), 2 mM EDTA, 2 mM DTT, pH 6.5.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KCNE3 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' DTT 2 mM 'natural abundance' EDTA 2 mM 'natural abundance' bicelles 20 % 'natural abundance' D2O 10 % 'natural abundance' imidazole 250 mM 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $KCNE3_in_bicelles save_ save_3D_TROSY-HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $KCNE3_in_bicelles save_ save_3D_TROSY-CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-CBCA(CO)NH' _Sample_label $KCNE3_in_bicelles save_ save_3D_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $KCNE3_in_bicelles save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $KCNE3_in_bicelles save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $KCNE3_in_bicelles save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'KCNE3 in bicelles, pH 6.5, data acquired at 313K.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.250 . M pH 6.5 . pH pressure 1 . atm temperature 313 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 $citations $citations DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 $citations $citations DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 $citations $citations stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D TROSY-HNCACB' '3D TROSY-HNCA' stop_ loop_ _Sample_label $KCNE3_in_bicelles stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name KCNE3 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 10 MET C C 174.378 . 1 2 1 10 MET CA C 55.119 . 1 3 1 10 MET CB C 32.172 . 1 4 1 10 MET N N 120.137 . 1 5 2 11 GLU H H 8.380 . 1 6 2 11 GLU C C 174.571 . 1 7 2 11 GLU CA C 56.366 . 1 8 2 11 GLU CB C 29.234 . 1 9 2 11 GLU N N 122.175 . 1 10 3 12 THR H H 7.995 . 1 11 3 12 THR C C 170.755 . 1 12 3 12 THR CA C 61.171 . 1 13 3 12 THR CB C 69.368 . 1 14 3 12 THR N N 114.821 . 1 15 4 13 THR H H 7.967 . 1 16 4 13 THR C C 168.503 . 1 17 4 13 THR CA C 61.278 . 1 18 4 13 THR CB C 69.315 . 1 19 4 13 THR N N 115.823 . 1 20 5 14 ASN H H 7.888 . 1 21 5 14 ASN C C 172.703 . 1 22 5 14 ASN CA C 54.533 . 1 23 5 14 ASN CB C 40.476 . 1 24 5 14 ASN N N 126.247 . 1 25 6 15 GLY H H 8.276 . 1 26 6 15 GLY C C 170.329 . 1 27 6 15 GLY CA C 45.256 . 1 28 6 15 GLY N N 109.721 . 1 29 7 16 THR H H 7.858 . 1 30 7 16 THR C C 171.166 . 1 31 7 16 THR CA C 61.879 . 1 32 7 16 THR CB C 69.241 . 1 33 7 16 THR N N 113.567 . 1 34 8 17 GLU H H 8.420 . 1 35 8 17 GLU C C 175.961 . 1 36 8 17 GLU CA C 56.864 . 1 37 8 17 GLU CB C 29.149 . 1 38 8 17 GLU N N 123.111 . 1 39 9 18 THR H H 8.042 . 1 40 9 18 THR C C 173.694 . 1 41 9 18 THR CA C 61.776 . 1 42 9 18 THR CB C 70.119 . 1 43 9 18 THR N N 113.859 . 1 44 10 19 TRP H H 8.378 . 1 45 10 19 TRP HE1 H 10.312 . 3 46 10 19 TRP C C 176.196 . 1 47 10 19 TRP CA C 59.253 . 1 48 10 19 TRP CB C 27.815 . 1 49 10 19 TRP N N 121.999 . 1 50 10 19 TRP NE1 N 130.592 . 1 51 11 20 TYR H H 7.087 . 1 52 11 20 TYR C C 176.352 . 1 53 11 20 TYR CA C 60.160 . 1 54 11 20 TYR CB C 36.622 . 1 55 11 20 TYR N N 118.978 . 1 56 12 21 GLU H H 7.663 . 1 57 12 21 GLU C C 180.862 . 1 58 12 21 GLU CA C 58.865 . 1 59 12 21 GLU CB C 28.497 . 1 60 12 21 GLU N N 120.509 . 1 61 13 22 SER H H 8.045 . 1 62 13 22 SER C C 173.163 . 1 63 13 22 SER CA C 61.509 . 1 64 13 22 SER CB C 62.539 . 1 65 13 22 SER N N 116.818 . 1 66 14 23 LEU H H 8.019 . 1 67 14 23 LEU C C 178.076 . 1 68 14 23 LEU CA C 57.372 . 1 69 14 23 LEU CB C 40.584 . 1 70 14 23 LEU N N 121.867 . 1 71 15 24 HIS H H 8.188 . 1 72 15 24 HIS C C 175.261 . 1 73 15 24 HIS CA C 59.210 . 1 74 15 24 HIS CB C 29.199 . 1 75 15 24 HIS N N 118.243 . 1 76 16 25 ALA H H 7.856 . 1 77 16 25 ALA C C 183.149 . 1 78 16 25 ALA CA C 54.938 . 1 79 16 25 ALA CB C 17.349 . 1 80 16 25 ALA N N 121.014 . 1 81 17 26 VAL H H 7.802 . 1 82 17 26 VAL C C 176.613 . 1 83 17 26 VAL CA C 65.788 . 1 84 17 26 VAL CB C 30.426 . 1 85 17 26 VAL N N 119.417 . 1 86 18 27 LEU H H 8.075 . 1 87 18 27 LEU CA C 57.729 . 1 88 18 27 LEU CB C 39.706 . 1 89 18 27 LEU N N 120.129 . 1 90 19 28 LYS C C 180.319 . 1 91 19 28 LYS CA C 59.244 . 1 92 19 28 LYS CB C 31.334 . 1 93 20 29 ALA H H 7.678 . 1 94 20 29 ALA C C 182.637 . 1 95 20 29 ALA CA C 54.415 . 1 96 20 29 ALA CB C 17.459 . 1 97 20 29 ALA N N 122.880 . 1 98 21 30 LEU H H 8.363 . 1 99 21 30 LEU C C 178.321 . 1 100 21 30 LEU CA C 57.334 . 1 101 21 30 LEU CB C 40.958 . 1 102 21 30 LEU N N 120.404 . 1 103 22 31 ASN H H 8.309 . 1 104 22 31 ASN CA C 56.214 . 1 105 22 31 ASN CB C 38.607 . 1 106 22 31 ASN N N 118.150 . 1 107 23 32 ALA H H 7.917 . 1 108 23 32 ALA C C 181.658 . 1 109 23 32 ALA CA C 54.524 . 1 110 23 32 ALA CB C 17.449 . 1 111 23 32 ALA N N 121.388 . 1 112 24 33 THR H H 7.860 . 1 113 24 33 THR C C 174.058 . 1 114 24 33 THR CA C 65.449 . 1 115 24 33 THR CB C 68.713 . 1 116 24 33 THR N N 114.946 . 1 117 25 34 LEU H H 8.008 . 1 118 25 34 LEU C C 176.240 . 1 119 25 34 LEU CA C 56.624 . 1 120 25 34 LEU CB C 40.637 . 1 121 25 34 LEU N N 121.495 . 1 122 26 35 HIS H H 7.734 . 1 123 26 35 HIS C C 171.991 . 1 124 26 35 HIS CA C 57.114 . 1 125 26 35 HIS CB C 28.169 . 1 126 26 35 HIS N N 115.542 . 1 127 27 36 SER H H 7.826 . 1 128 27 36 SER C C 171.024 . 1 129 27 36 SER CA C 59.206 . 1 130 27 36 SER CB C 63.532 . 1 131 27 36 SER N N 114.635 . 1 132 28 37 ASN H H 8.151 . 1 133 28 37 ASN C C 172.243 . 1 134 28 37 ASN CA C 53.949 . 1 135 28 37 ASN CB C 38.743 . 1 136 28 37 ASN N N 119.486 . 1 137 29 38 LEU H H 7.822 . 1 138 29 38 LEU C C 175.370 . 1 139 29 38 LEU CA C 55.933 . 1 140 29 38 LEU CB C 41.511 . 1 141 29 38 LEU N N 120.021 . 1 142 30 39 LEU H H 7.685 . 1 143 30 39 LEU CA C 54.735 . 1 144 30 39 LEU CB C 41.256 . 1 145 30 39 LEU N N 118.307 . 1 146 31 40 CYS H H 7.716 . 1 147 31 40 CYS C C 172.094 . 1 148 31 40 CYS CA C 57.836 . 1 149 31 40 CYS CB C 27.477 . 1 150 31 40 CYS N N 117.875 . 1 151 32 41 ARG H H 8.053 . 1 152 32 41 ARG CA C 53.511 . 1 153 32 41 ARG CB C 29.271 . 1 154 32 41 ARG N N 123.688 . 1 155 33 42 PRO C C 175.563 . 1 156 33 42 PRO CA C 62.743 . 1 157 33 42 PRO CB C 31.277 . 1 158 34 43 GLY H H 8.021 . 1 159 34 43 GLY CA C 44.099 . 1 160 34 43 GLY N N 108.928 . 1 161 35 44 PRO C C 175.917 . 1 162 35 44 PRO CA C 62.891 . 1 163 35 44 PRO CB C 31.126 . 1 164 36 45 GLY H H 8.257 . 1 165 36 45 GLY CA C 44.834 . 1 166 36 45 GLY N N 109.248 . 1 167 37 46 LEU H H 7.899 . 1 168 37 46 LEU C C 176.360 . 1 169 37 46 LEU CA C 58.480 . 1 170 37 46 LEU CB C 41.789 . 1 171 37 46 LEU N N 121.667 . 1 172 38 47 GLY H H 8.072 . 1 173 38 47 GLY CA C 44.130 . 1 174 38 47 GLY N N 109.648 . 1 175 39 48 PRO C C 175.342 . 1 176 39 48 PRO CA C 63.010 . 1 177 39 48 PRO CB C 31.027 . 1 178 40 49 ASP H H 8.214 . 1 179 40 49 ASP C C 176.334 . 1 180 40 49 ASP CA C 53.972 . 1 181 40 49 ASP CB C 40.373 . 1 182 40 49 ASP N N 119.684 . 1 183 41 50 ASN H H 8.044 . 1 184 41 50 ASN C C 171.984 . 1 185 41 50 ASN CA C 53.131 . 1 186 41 50 ASN CB C 38.451 . 1 187 41 50 ASN N N 118.789 . 1 188 42 51 GLN H H 8.254 . 1 189 42 51 GLN C C 173.869 . 1 190 42 51 GLN CA C 55.769 . 1 191 42 51 GLN CB C 28.705 . 1 192 42 51 GLN CD C 28.448 . 1 193 42 51 GLN CG C 33.047 . 1 194 42 51 GLN N N 120.491 . 1 195 43 52 THR H H 7.924 . 1 196 43 52 THR C C 170.785 . 1 197 43 52 THR CA C 61.836 . 1 198 43 52 THR CB C 69.261 . 1 199 43 52 THR N N 114.926 . 1 200 44 53 GLU H H 8.179 . 1 201 44 53 GLU C C 174.553 . 1 202 44 53 GLU CA C 56.383 . 1 203 44 53 GLU CB C 29.378 . 1 204 44 53 GLU N N 123.084 . 1 205 45 54 ARG H H 8.207 . 1 206 45 54 ARG C C 174.470 . 1 207 45 54 ARG CA C 56.431 . 1 208 45 54 ARG CB C 29.378 . 1 209 45 54 ARG N N 122.280 . 1 210 46 55 ARG H H 8.095 . 1 211 47 55 ARG C C 173.490 . 1 212 46 55 ARG CA C 55.667 . 1 213 46 55 ARG CB C 29.615 . 1 214 46 55 ARG N N 122.358 . 1 215 48 56 ALA H H 8.090 . 1 216 48 56 ALA C C 176.158 . 1 217 48 56 ALA CA C 52.015 . 1 218 48 56 ALA CB C 18.519 . 1 219 48 56 ALA N N 124.962 . 1 220 49 57 SER H H 7.964 . 1 221 49 57 SER C C 167.755 . 1 222 49 57 SER CA C 57.659 . 1 223 49 57 SER CB C 63.438 . 1 224 49 57 SER N N 115.141 . 1 225 50 58 LEU H H 8.006 . 1 226 50 58 LEU CA C 52.245 . 1 227 50 58 LEU CB C 42.032 . 1 228 50 58 LEU N N 124.837 . 1 229 51 59 PRO C C 174.819 . 1 230 51 59 PRO CA C 62.699 . 1 231 51 59 PRO CB C 33.802 . 1 232 52 60 GLY H H 8.427 . 1 233 52 60 GLY C C 169.610 . 1 234 52 60 GLY CA C 44.986 . 1 235 52 60 GLY N N 110.475 . 1 236 53 61 ARG H H 7.949 . 1 237 53 61 ARG C C 173.476 . 1 238 53 61 ARG CA C 55.758 . 1 239 53 61 ARG CB C 30.057 . 1 240 53 61 ARG N N 120.464 . 1 241 54 62 ASP H H 8.253 . 1 242 54 62 ASP C C 173.150 . 1 243 54 62 ASP CA C 53.886 . 1 244 54 62 ASP CB C 40.640 . 1 245 54 62 ASP N N 120.963 . 1 246 55 63 ASP H H 8.022 . 1 247 55 63 ASP C C 174.227 . 1 248 55 63 ASP CA C 54.166 . 1 249 55 63 ASP CB C 40.783 . 1 250 55 63 ASP N N 120.635 . 1 251 56 64 ASN H H 8.311 . 1 252 56 64 ASN C C 173.646 . 1 253 56 64 ASN CA C 53.394 . 1 254 56 64 ASN CB C 38.346 . 1 255 56 64 ASN N N 119.364 . 1 256 57 65 SER H H 8.240 . 1 257 57 65 SER C C 173.516 . 1 258 57 65 SER CA C 61.010 . 1 259 57 65 SER CB C 62.674 . 1 260 57 65 SER N N 116.359 . 1 261 58 66 TYR H H 8.065 . 1 262 58 66 TYR C C 175.733 . 1 263 58 66 TYR CA C 59.721 . 1 264 58 66 TYR CB C 36.857 . 1 265 58 66 TYR N N 120.131 . 1 266 59 67 MET H H 7.704 . 1 267 59 67 MET C C 177.171 . 1 268 59 67 MET CA C 57.799 . 1 269 59 67 MET CB C 31.191 . 1 270 59 67 MET N N 118.717 . 1 271 60 68 TYR H H 7.646 . 1 272 60 68 TYR C C 177.175 . 1 273 60 68 TYR CA C 60.542 . 1 274 60 68 TYR CB C 37.042 . 1 275 60 68 TYR N N 117.752 . 1 276 61 69 ILE H H 7.772 . 1 277 61 69 ILE C C 176.940 . 1 278 61 69 ILE CA C 64.383 . 1 279 61 69 ILE CB C 36.838 . 1 280 61 69 ILE N N 118.599 . 1 281 62 70 LEU H H 7.976 . 1 282 62 70 LEU C C 179.745 . 1 283 62 70 LEU CA C 57.924 . 1 284 62 70 LEU CB C 36.599 . 1 285 62 70 LEU N N 119.922 . 1 286 63 71 PHE H H 8.176 . 1 287 63 71 PHE C C 175.889 . 1 288 63 71 PHE CA C 59.233 . 1 289 63 71 PHE CB C 39.349 . 1 290 63 71 PHE N N 119.497 . 1 291 64 72 VAL H H 8.193 . 1 292 64 72 VAL C C 176.902 . 1 293 64 72 VAL CA C 66.658 . 1 294 64 72 VAL CB C 30.496 . 1 295 64 72 VAL N N 118.448 . 1 296 65 73 MET H H 8.378 . 1 297 65 73 MET C C 177.346 . 1 298 65 73 MET CA C 59.056 . 1 299 65 73 MET CB C 31.503 . 1 300 65 73 MET N N 118.789 . 1 301 66 74 PHE H H 8.455 . 1 302 66 74 PHE C C 174.418 . 1 303 66 74 PHE CA C 60.940 . 1 304 66 74 PHE CB C 37.971 . 1 305 66 74 PHE N N 119.947 . 1 306 67 75 LEU H H 8.263 . 1 307 67 75 LEU C C 181.860 . 1 308 67 75 LEU CA C 57.362 . 1 309 67 75 LEU CB C 40.533 . 1 310 67 75 LEU N N 119.215 . 1 311 68 76 PHE H H 8.666 . 1 312 68 76 PHE C C 174.103 . 1 313 68 76 PHE CA C 61.016 . 1 314 68 76 PHE CB C 38.136 . 1 315 68 76 PHE N N 121.467 . 1 316 69 77 ALA H H 8.404 . 1 317 69 77 ALA C C 179.979 . 1 318 69 77 ALA CA C 55.217 . 1 319 69 77 ALA CB C 17.336 . 1 320 69 77 ALA N N 121.609 . 1 321 70 78 VAL H H 8.187 . 1 322 70 78 VAL C C 177.561 . 1 323 70 78 VAL CA C 65.355 . 1 324 70 78 VAL CB C 30.441 . 1 325 70 78 VAL N N 114.778 . 1 326 71 79 THR H H 7.764 . 1 327 71 79 THR C C 173.260 . 1 328 71 79 THR CA C 67.419 . 1 329 71 79 THR N N 119.018 . 1 330 72 80 VAL H H 8.168 . 1 331 72 80 VAL C C 177.260 . 1 332 72 80 VAL CA C 66.405 . 1 333 72 80 VAL CB C 30.344 . 1 334 72 80 VAL N N 120.166 . 1 335 73 81 GLY H H 8.392 . 1 336 73 81 GLY C C 170.625 . 1 337 73 81 GLY CA C 47.249 . 1 338 73 81 GLY N N 106.335 . 1 339 74 82 SER H H 7.935 . 1 340 74 82 SER C C 173.929 . 1 341 74 82 SER CA C 62.792 . 1 342 74 82 SER CB C 63.921 . 1 343 74 82 SER N N 117.256 . 1 344 75 83 LEU H H 7.652 . 1 345 75 83 LEU CA C 57.582 . 1 346 75 83 LEU CB C 41.015 . 1 347 75 83 LEU N N 122.599 . 1 348 76 84 ILE C C 178.551 . 1 349 76 84 ILE CA C 64.983 . 1 350 76 84 ILE CB C 36.994 . 1 351 77 85 LEU H H 8.239 . 1 352 77 85 LEU C C 179.681 . 1 353 77 85 LEU CA C 57.496 . 1 354 77 85 LEU CB C 40.860 . 1 355 77 85 LEU N N 121.376 . 1 356 78 86 GLY H H 8.342 . 1 357 78 86 GLY C C 172.879 . 1 358 78 86 GLY CA C 46.779 . 1 359 78 86 GLY N N 106.450 . 1 360 79 87 TYR H H 8.234 . 1 361 79 87 TYR C C 177.085 . 1 362 79 87 TYR CA C 60.949 . 1 363 79 87 TYR CB C 38.267 . 1 364 79 87 TYR N N 122.178 . 1 365 80 88 THR H H 8.253 . 1 366 80 88 THR C C 174.648 . 1 367 80 88 THR CA C 64.866 . 1 368 80 88 THR CB C 68.546 . 1 369 80 88 THR N N 112.368 . 1 370 81 89 ARG H H 7.869 . 1 371 81 89 ARG C C 176.310 . 1 372 81 89 ARG CA C 57.357 . 1 373 81 89 ARG CB C 29.215 . 1 374 81 89 ARG N N 120.972 . 1 375 82 90 SER H H 7.624 . 1 376 82 90 SER C C 171.110 . 1 377 82 90 SER CA C 59.293 . 1 378 82 90 SER CB C 63.285 . 1 379 82 90 SER N N 114.629 . 1 380 83 91 ARG H H 7.513 . 1 381 83 91 ARG C C 173.969 . 1 382 83 91 ARG CA C 55.752 . 1 383 83 91 ARG CB C 29.388 . 1 384 83 91 ARG N N 121.283 . 1 385 84 92 LYS H H 7.770 . 1 386 84 92 LYS C C 174.392 . 1 387 84 92 LYS CA C 55.972 . 1 388 84 92 LYS CB C 31.876 . 1 389 84 92 LYS N N 121.345 . 1 390 85 93 VAL H H 7.757 . 1 391 85 93 VAL C C 172.671 . 1 392 85 93 VAL CA C 61.743 . 1 393 85 93 VAL CB C 31.895 . 1 394 85 93 VAL N N 120.353 . 1 395 86 94 ASP H H 8.133 . 1 396 86 94 ASP C C 173.723 . 1 397 86 94 ASP CA C 53.782 . 1 398 86 94 ASP CB C 40.825 . 1 399 86 94 ASP N N 124.042 . 1 400 87 95 LYS H H 8.047 . 1 401 87 95 LYS CA C 55.862 . 1 402 87 95 LYS CB C 31.707 . 1 403 87 95 LYS N N 122.446 . 1 404 88 96 ARG H H 7.893 . 1 405 88 96 ARG C C 174.229 . 1 406 88 96 ARG CA C 56.061 . 1 407 88 96 ARG CB C 29.694 . 1 408 88 96 ARG N N 120.644 . 1 409 89 97 SER H H 8.026 . 1 410 89 97 SER C C 169.241 . 1 411 89 97 SER CA C 57.757 . 1 412 89 97 SER CB C 63.376 . 1 413 89 97 SER N N 116.303 . 1 414 90 98 ASP H H 7.763 . 1 415 90 98 ASP CA C 52.636 . 1 416 90 98 ASP CB C 40.934 . 1 417 90 98 ASP N N 123.123 . 1 418 91 99 PRO C C 175.955 . 1 419 91 99 PRO CA C 63.476 . 1 420 91 99 PRO CB C 31.152 . 1 421 92 100 TYR H H 8.068 . 1 422 92 100 TYR C C 173.583 . 1 423 92 100 TYR CA C 58.605 . 1 424 92 100 TYR CB C 37.433 . 1 425 92 100 TYR N N 118.434 . 1 426 93 101 HIS H H 7.826 . 1 427 93 101 HIS CA C 57.033 . 1 428 93 101 HIS CB C 28.919 . 1 429 93 101 HIS N N 118.584 . 1 430 94 102 VAL H H 7.705 . 1 431 94 102 VAL CA C 63.179 . 1 432 94 102 VAL CB C 31.569 . 1 433 94 102 VAL N N 119.820 . 1 434 95 103 TYR H H 7.886 . 1 435 95 103 TYR C C 173.544 . 1 436 95 103 TYR CA C 58.441 . 1 437 95 103 TYR CB C 37.988 . 1 438 95 103 TYR N N 121.600 . 1 439 96 104 ILE H H 7.689 . 1 440 96 104 ILE C C 173.819 . 1 441 96 104 ILE CA C 61.177 . 1 442 96 104 ILE CB C 37.519 . 1 443 96 104 ILE N N 120.295 . 1 444 97 105 LYS H H 7.871 . 1 445 97 105 LYS CA C 56.911 . 1 446 97 105 LYS CB C 31.743 . 1 447 97 105 LYS N N 123.117 . 1 448 98 106 ASN H H 8.029 . 1 449 98 106 ASN C C 171.974 . 1 450 98 106 ASN CA C 53.370 . 1 451 98 106 ASN CB C 38.161 . 1 452 98 106 ASN N N 118.281 . 1 453 99 107 ARG H H 7.893 . 1 454 99 107 ARG CA C 56.061 . 1 455 99 107 ARG CB C 29.694 . 1 456 99 107 ARG N N 120.644 . 1 457 100 108 VAL H H 7.687 . 1 458 100 108 VAL C C 173.067 . 1 459 100 108 VAL CA C 61.869 . 1 460 100 108 VAL CB C 31.674 . 1 461 100 108 VAL N N 119.882 . 1 462 101 109 SER H H 7.951 . 1 463 101 109 SER C C 169.940 . 1 464 101 109 SER CA C 57.904 . 1 465 101 109 SER CB C 63.433 . 1 466 101 109 SER N N 117.969 . 1 467 102 110 MET H H 8.118 . 1 468 102 110 MET C C 171.247 . 1 469 102 110 MET CA C 55.477 . 1 470 102 110 MET CB C 32.293 . 1 471 102 110 MET N N 122.673 . 1 472 103 111 ILE H H 7.362 . 1 473 103 111 ILE CA C 62.322 . 1 474 103 111 ILE CB C 38.707 . 1 475 103 111 ILE N N 124.604 . 1 stop_ save_